N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide

C14H25N5O4S — CID 155870922

IUPACN-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N5O4S/c1-18-8-4-12(17-18)16-14(13(20)15-7-11-23-2)5-9-19(10-6-14)24(3,21)22/h4,8H,5-7,9-11H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyDXNGFASZBFLVLG-UHFFFAOYSA-N
MW359.45 g/mol
LogP-0.61
Rot. Bonds7

About N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide

N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 155870922) has the molecular formula C14H25N5O4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID155870922
Molecular FormulaC14H25N5O4S
Molecular Weight359.45 g/mol
Exact Mass359.16
IUPAC NameN-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C14H25N5O4S/c1-18-8-4-12(17-18)16-14(13(20)15-7-11-23-2)5-9-19(10-6-14)24(3,21)22/h4,8H,5-7,9-11H2,1-3H3,(H,15,20)(H,16,17)
InChIKeyDXNGFASZBFLVLG-UHFFFAOYSA-N
XLogP-0.61
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155872749
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
1-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872962
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxamide
CID 155873523

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide (CID 155870922) is N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide is COCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DXNGFASZBFLVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O4S/c1-18-8-4-12(17-18)16-14(13(20)15-7-11-23-2)5-9-19(10-6-14)24(3,21)22/h4,8H,5-7,9-11H2,1-3H3,(H,15,20)(H,16,17).
What are the key properties of N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide?
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of -0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 155870922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).